benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate

C15H21NO4 — CID 143369684

IUPACbenzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate
SMILESO=C(NCCC1CCCC(O)O1)OCc1ccccc1
InChIInChI=1S/C15H21NO4/c17-14-8-4-7-13(20-14)9-10-16-15(18)19-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18)
InChIKeyYEELJWGJWRPCIF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.19
Rot. Bonds5

About benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate

benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate (PubChem CID 143369684) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate
PubChem CID143369684
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namebenzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate
SMILESO=C(NCCC1CCCC(O)O1)OCc1ccccc1
InChIInChI=1S/C15H21NO4/c17-14-8-4-7-13(20-14)9-10-16-15(18)19-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18)
InChIKeyYEELJWGJWRPCIF-UHFFFAOYSA-N
XLogP2.19
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
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benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate (CID 143369684) is benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate is O=C(NCCC1CCCC(O)O1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate?
The InChIKey is YEELJWGJWRPCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-14-8-4-7-13(20-14)9-10-16-15(18)19-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18).
What are the key properties of benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate?
benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(6-hydroxyoxan-2-yl)ethyl]carbamate is sourced from PubChem (CID 143369684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).